4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carbaldehyde
Chemical Structure Depiction of
4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carbaldehyde
4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carbaldehyde
Compound characteristics
| Compound ID: | 8019-7294 |
| Compound Name: | 4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carbaldehyde |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C21 H21 N O7 |
| Smiles: | COc1ccc(cc1)C1CC(Cc2c(C=O)c(c3c(c2OC)OCO3)OC)ON=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6321 |
| logD: | 3.6321 |
| logSw: | -3.8212 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.424 |
| InChI Key: | LJXGUUUALGDXJW-AWEZNQCLSA-N |